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Title: Tuning phase stability and short-range order through Al doping in ( CoCrFeMn ) 100 - x A l x high-entropy alloys

Journal Article · · Physical Review Materials
 [1];  [2];  [1];  [1];  [3];  [4];  [5]
  1. Ames Lab., Ames, IA (United States)
  2. RWTH Aachen Univ. (Germany)
  3. Lehigh Univ., Bethlehem, PA (United States)
  4. RWTH Aachen Univ. (Germany); Indian Inst. of Technology (IIT), Madras (India)
  5. Ames Lab. and Iowa State Univ., Ames, IA (United States)

For ( CoCrFeMn ) 100 - x A l x high-entropy alloys, we report on the phase evolution with increasing Al content ( 0 ≤ x ≤ 20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of ( CoCrFeMn ) 100 - x A l x alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the chemical ordering behavior of arbitrary complex solid-solution alloys—an ideal approach for predictive design of high-entropy alloys. The predictions confirm our present experimental findings and other reported ones.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-07CH11358; N00014-16-1-2548
OSTI ID:
1542874
Alternate ID(s):
OSTI ID: 1546452
Report Number(s):
IS-J-9970; PRMHAR
Journal Information:
Physical Review Materials, Vol. 3, Issue 7; ISSN 2475-9953
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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